[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum

C17H10F8NO3Pt- — CID 58401682

IUPAC[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum
SMILESO=C(/C=C(\O)C(F)(F)F)C(F)(F)F.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.[Pt]
InChIInChI=1S/C12H8F2NO.C5H2F6O2.Pt/c13-9-1-2-10(11(14)6-9)12-5-8(7-16)3-4-15-12;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1,3-6,16H,7H2;1,12H;/q-1;;/b;2-1-;
InChIKeySPSGDOQTEFXZJQ-FJOGWHKWSA-N
MW623.33 g/mol
LogP4.44
Rot. Bonds3

About [2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum

[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum (PubChem CID 58401682) has the molecular formula C17H10F8NO3Pt- and a molecular weight of 623.33 g/mol. Its IUPAC name is [2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum.

Molecular Properties

Compound Name[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum
PubChem CID58401682
Molecular FormulaC17H10F8NO3Pt-
Molecular Weight623.33 g/mol
Exact Mass623.02
IUPAC Name[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum
SMILESO=C(/C=C(\O)C(F)(F)F)C(F)(F)F.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.[Pt]
InChIInChI=1S/C12H8F2NO.C5H2F6O2.Pt/c13-9-1-2-10(11(14)6-9)12-5-8(7-16)3-4-15-12;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1,3-6,16H,7H2;1,12H;/q-1;;/b;2-1-;
InChIKeySPSGDOQTEFXZJQ-FJOGWHKWSA-N
XLogP4.44
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.33
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-(6-methyl-3-pyridinyl)pent-1-en-3-one
CID 162643912
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-3-(trifluoromethyl)pyridine
CID 23526356
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-(trifluoromethyl)pyridine
CID 23526357
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum
CID 57894631
10H-benzo[h]quinolin-10-ide;dysprosium;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
CID 57935306
[2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-4-hydroxypent-3-en-2-one;platinum
CID 58401317
[2-(2-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum
CID 58401375
(Z)-4-hydroxypent-3-en-2-one;iridium;[2-[4-methoxy-2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol
CID 58401464
(Z)-4-hydroxypent-3-en-2-one;[2-[4-methoxy-2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum
CID 58401539
(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;platinum
CID 58401585
(Z)-4-hydroxypent-3-en-2-one;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum
CID 58401631
(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;iridium
CID 58401707

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum?
The IUPAC name of [2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum (CID 58401682) is [2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum.
What is the SMILES notation for [2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum?
The canonical SMILES for [2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum is O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.[Pt].
What is the InChIKey of [2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum?
The InChIKey is SPSGDOQTEFXZJQ-FJOGWHKWSA-N. The full InChI is InChI=1S/C12H8F2NO.C5H2F6O2.Pt/c13-9-1-2-10(11(14)6-9)12-5-8(7-16)3-4-15-12;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1,3-6,16H,7H2;1,12H;/q-1;;/b;2-1-;.
What are the key properties of [2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum?
[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum has a molecular weight of 623.33 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum is sourced from PubChem (CID 58401682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).